| SpectraBase Spectrum ID |
KIPjiuXML1K |
| Name |
3-(2'-Nitroethyl)-4-[3'-hydroxy-1'-propyn-1'-yl]indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2O3 |
| InChI |
InChI=1S/C13H12N2O3/c16-8-2-4-10-3-1-5-12-13(10)11(9-14-12)6-7-15(17)18/h1,3,5,9,14,16H,6-8H2 |
| InChIKey |
PAQZYCFWMPFNOB-UHFFFAOYSA-N |
| Molecular Weight |
244.250 g/mol |
| SMILES |
[nH]1c2c(c(C#CCO)ccc2)c(CCN(=O)=O)c1 |
| SPLASH |
splash10-0006-0390000000-956021182d3f5552c0bc |
| Source of Spectrum |
H1-36-2243-3 |
| Synonyms |
4-(3-Hydroxypropynyl)-3-(2-nitroethyl)indole
3-[3-(2-nitroethyl)-1H-indol-4-yl]-2-propyn-1-ol |
| Wiley ID |
755654 |
![3-(2'-Nitroethyl)-4-[3'-hydroxy-1'-propyn-1'-yl]indole](/api/spectrum/KIPjiuXML1K/structure.png?h=300&w=458 "3-(2'-Nitroethyl)-4-[3'-hydroxy-1'-propyn-1'-yl]indole")
